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PUBCHEM-ZINC03957228

 MMsINC code: MMs03085897
Type: Neutral
Formula: C16H31NO
SMILES:   O=C(NC1CCCCCCCCCCC1)C(C)C
InChI:   InChI=1/C16H31NO/c1-14(2)16(18)17-15-12-10-8-6-4-3-5-7-9-11-13-15/h14-15H,3-13H2,1-2H3,(H,17,18)

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Potential Energy
Epot(MMFF94)=76.4905 kcal/mol

MOE's Descriptors


 Physical Properties
  Molecular Weight: 253.43 g/mol  logS: -4.73647  SlogP: 4.4319  Reactive groups: 0
 
 Topological Properties
  Globularity: 0.112148  Sterimol/B1: 2.46172  Sterimol/B2: 4.52808  Sterimol/B3: 4.92166
  Sterimol/B4: 5.4148  Sterimol/L: 14.3761 
 
 Surface and Volume Properties
  Accessible surface: 511.418  Positive charged surface: 383.181  Negative charged surface: 128.236  Volume: 294.375
  Hydrophobic surface: 445.63  Hydrophilic surface: 65.788
 
 Pharmacophoric Properties
  Hydrogen bond donors: 1  Hydrogen bond acceptors: 1  Acid groups: 0  Basic groups: 0
  Chiral centers: 0
 
 Drug- and Lead-like Properties
  Lipinski's drug-like rule: 1  Violations of Lipinski's rule: 0  Oprea's lead like rule: 1
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Ions/Tautomers related molecules: no related molecules available.